acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol

C10H22O5 — CID 162322991

IUPACacetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol
SMILESCC(=O)O.CC(O)C(C)(CO)C(C)(C)O
InChIInChI=1S/C8H18O3.C2H4O2/c1-6(10)8(4,5-9)7(2,3)11;1-2(3)4/h6,9-11H,5H2,1-4H3;1H3,(H,3,4)
InChIKeyFUTBFBCIJTVYAN-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.23
Rot. Bonds3

About acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol

acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol (PubChem CID 162322991) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol.

Molecular Properties

Compound Nameacetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol
PubChem CID162322991
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Nameacetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol
SMILESCC(=O)O.CC(O)C(C)(CO)C(C)(C)O
InChIInChI=1S/C8H18O3.C2H4O2/c1-6(10)8(4,5-9)7(2,3)11;1-2(3)4/h6,9-11H,5H2,1-4H3;1H3,(H,3,4)
InChIKeyFUTBFBCIJTVYAN-UHFFFAOYSA-N
XLogP0.23
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
acetic acid;ethane-1,2-diol;propane-1,2,3-triol
CID 174966848
acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
CID 174618954
2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid
CID 154587472
3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 141219993
acetic acid;bis(2,2-bis(hydroxymethyl)propane-1,3-diol)
CID 173446571
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
2,2-diacetyl-3-oxobutanoic acid;propane-1,2,3-triol
CID 158102004
acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol
CID 86741967
2-hydroxy-2-methylbutanoic acid;propan-2-ol
CID 87318263
4-methylpentan-2-one;propane-1,2,3-triol
CID 88598058
2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid)
CID 173331199

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol?
The IUPAC name of acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol (CID 162322991) is acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol.
What is the SMILES notation for acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol?
The canonical SMILES for acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol is CC(=O)O.CC(O)C(C)(CO)C(C)(C)O.
What is the InChIKey of acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol?
The InChIKey is FUTBFBCIJTVYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C2H4O2/c1-6(10)8(4,5-9)7(2,3)11;1-2(3)4/h6,9-11H,5H2,1-4H3;1H3,(H,3,4).
What are the key properties of acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol?
acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol has a molecular weight of 222.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol is sourced from PubChem (CID 162322991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).